Information card for entry 7000615

Structure parameters

• Formula: C23 H36 Cl2 N O P Ti
• Calculated formula: C23 H36 Cl2 N O P Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=P(C(C)(C)C)(C(C)(C)C)CCCOCc5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Phosphinimide complexes with pendant hemilabile donors: synthesis, structure and ethylene polymerization activity
• Authors of publication: Yadav, Krishan; McCahill, Jenny S. J.; Bai, Guangcai; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1636 - 1643
• a: 9.02 ± 0.003 Å
• b: 20.667 ± 0.007 Å
• c: 14.584 ± 0.005 Å
• α: 90°
• β: 106.219 ± 0.004°
• γ: 90°
• Cell volume: 2610.5 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No